SCHEMBL1709746

SCHEMBL1709746

COC(=O)c1ccc(-c2ccc3c(c2)C(=O)OC3=O)cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ROCK2 O75116 1/20 0.44
CSF1R P07333 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
ROCK1 Q13464 1/20 0.44
SLK Q9H2G2 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 1/20 0.42
CA12 O43570 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10019515 0.93 CA12 (0.47) CHEK1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL20344349 0.85 ERN1 (0.43) CHEK1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL19494829 0.85 ERN1 (0.46) CHEK1KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5710703 0.83 ALDH1A1 (0.47) CHEK1KDM4EROCK2CSF1RKDR
SCHEMBL31192519 0.82 KDM4E (0.46) KDM4EROCK2CSF1RKDRFLT3
SCHEMBL6466451 0.82 CA12 (0.53) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29733451 0.82 CA12 (0.53) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9813479 0.80 CA12 (0.52) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20810375 0.80 CHEK1 (0.42) CHEK1KDM4ECYP1A2CA12CA1
SCHEMBL9813482 0.79 NR4A2 (0.49) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394226-B2 3,4-dialkylbiphenyldicarboxylic acid compound, 3,4-dicarboalkoxybiphenyl-3′,4′-dicarboxylic acid and corresponding acid anhydrides, and processes for producing these compounds UBE INDUSTRIES, LTD. (JP) 2016-07-19 US disclosed
US-9394226-B2 3,4-dialkylbiphenyldicarboxylic acid compound, 3,4-dicarboalkoxybiphenyl-3′,4′-dicarboxylic acid and corresponding acid anhydrides, and processes for producing these compounds UBE INDUSTRIES, LTD. (JP) 2016-07-19 US disclosed
US-9394226-B2 3,4-dialkylbiphenyldicarboxylic acid compound, 3,4-dicarboalkoxybiphenyl-3′,4′-dicarboxylic acid and corresponding acid anhydrides, and processes for producing these compounds UBE INDUSTRIES, LTD. (JP) 2016-07-19 US disclosed
US-20150025263-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3',4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS UBE CORPORATION (JP) 2015-01-22 US disclosed
US-20150025263-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3',4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS UBE CORPORATION (JP) 2015-01-22 US disclosed
US-20150025263-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3',4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS UBE CORPORATION (JP) 2015-01-22 US disclosed
US-8859801-B2 3,4-dialkylbiphenyldicarboxylic acid compound, 3,4-dicarboalkoxybiphenyl-3', 4'-dicarboxylic acid and corresponding acid anhydrides, and processes for producing these compounds UBE INDUSTRIES, LTD. (JP) 2014-10-14 US disclosed
US-8859801-B2 3,4-dialkylbiphenyldicarboxylic acid compound, 3,4-dicarboalkoxybiphenyl-3', 4'-dicarboxylic acid and corresponding acid anhydrides, and processes for producing these compounds UBE INDUSTRIES, LTD. (JP) 2014-10-14 US disclosed
US-8859801-B2 3,4-dialkylbiphenyldicarboxylic acid compound, 3,4-dicarboalkoxybiphenyl-3', 4'-dicarboxylic acid and corresponding acid anhydrides, and processes for producing these compounds UBE INDUSTRIES, LTD. (JP) 2014-10-14 US disclosed
US-20130197261-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3', 4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS UBE INDUSTRIES, LTD. (JP) 2013-08-01 US disclosed
US-20130197261-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3', 4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS UBE INDUSTRIES, LTD. (JP) 2013-08-01 US disclosed
US-20130197261-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3', 4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS UBE INDUSTRIES, LTD. (JP) 2013-08-01 US disclosed
WO-2012046857-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3',4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS 宇部興産株式会社 (JP) 2012-04-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130197261-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3', 4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS CA4, CA2, CA1 CHEK1 2256/4885KDM4E 2869/4885CYP1A2 549/4885
US-20150025263-A1 3,4-DIALKYLBIPHENYLDICARBOXYLIC ACID COMPOUND, 3,4-DICARBOALKOXYBIPHENYL-3',4'-DICARBOXYLIC ACID AND CORRESPONDING ACID ANHYDRIDES, AND PROCESSES FOR PRODUCING THESE COMPOUNDS CA4, CA1, CA2 CHEK1 1533/4885KDM4E 2842/4885CYP1A2 1097/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.